2-[2-[methyl(oxan-4-ylmethyl)amino]ethoxy]propanimidamide

C12H25N3O2 — CID 114266431

IUPAC2-[2-[methyl(oxan-4-ylmethyl)amino]ethoxy]propanimidamide
SMILES[H]/N=C(\N)C(C)OCCN(C)CC1CCOCC1
InChIInChI=1S/C12H25N3O2/c1-10(12(13)14)17-8-5-15(2)9-11-3-6-16-7-4-11/h10-11H,3-9H2,1-2H3,(H3,13,14)
InChIKeyHDLCQSJLRIDJAT-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.69
Rot. Bonds7

About 2-[2-[methyl(oxan-4-ylmethyl)amino]ethoxy]propanimidamide

2-[2-[methyl(oxan-4-ylmethyl)amino]ethoxy]propanimidamide (PubChem CID 114266431) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[2-[methyl(oxan-4-ylmethyl)amino]ethoxy]propanimidamide.

Molecular Properties

Compound Name2-[2-[methyl(oxan-4-ylmethyl)amino]ethoxy]propanimidamide
PubChem CID114266431
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name2-[2-[methyl(oxan-4-ylmethyl)amino]ethoxy]propanimidamide
SMILES[H]/N=C(\N)C(C)OCCN(C)CC1CCOCC1
InChIInChI=1S/C12H25N3O2/c1-10(12(13)14)17-8-5-15(2)9-11-3-6-16-7-4-11/h10-11H,3-9H2,1-2H3,(H3,13,14)
InChIKeyHDLCQSJLRIDJAT-UHFFFAOYSA-N
XLogP0.69
TPSA71.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[methyl(oxan-4-ylmethyl)amino]ethoxy]propanimidamide?
The IUPAC name of 2-[2-[methyl(oxan-4-ylmethyl)amino]ethoxy]propanimidamide (CID 114266431) is 2-[2-[methyl(oxan-4-ylmethyl)amino]ethoxy]propanimidamide.
What is the SMILES notation for 2-[2-[methyl(oxan-4-ylmethyl)amino]ethoxy]propanimidamide?
The canonical SMILES for 2-[2-[methyl(oxan-4-ylmethyl)amino]ethoxy]propanimidamide is [H]/N=C(\N)C(C)OCCN(C)CC1CCOCC1.
What is the InChIKey of 2-[2-[methyl(oxan-4-ylmethyl)amino]ethoxy]propanimidamide?
The InChIKey is HDLCQSJLRIDJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-10(12(13)14)17-8-5-15(2)9-11-3-6-16-7-4-11/h10-11H,3-9H2,1-2H3,(H3,13,14).
What are the key properties of 2-[2-[methyl(oxan-4-ylmethyl)amino]ethoxy]propanimidamide?
2-[2-[methyl(oxan-4-ylmethyl)amino]ethoxy]propanimidamide has a molecular weight of 243.35 g/mol, XLogP of 0.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[methyl(oxan-4-ylmethyl)amino]ethoxy]propanimidamide is sourced from PubChem (CID 114266431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).